Information card for entry 7121980

Structure parameters

• Formula: C6 H2 F10 O2
• Calculated formula: C6 H2 F10 O2
• Title of publication: The perfluorinated alcohols c-C₆F₁₁OH, c-C₆F₁₀-1,1-(OH)₂ and c-C₆F₁₀-1-(CF₃)OH.
• Authors of publication: Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 67
• Pages of publication: 9294 - 9297
• a: 10.3768 ± 0.0004 Å
• b: 20.2598 ± 0.0006 Å
• c: 8.3401 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1753.36 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No